Information card for entry 7000052
Formula |
C12 H21 Au Br Cl3 N2 |
Calculated formula |
C12 H21 Au Br Cl3 N2 |
SMILES |
[Au](Br)=C1N(C(C)(C)C)C=CN1C(C)(C)C.ClC(Cl)Cl |
Title of publication |
Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes. |
Authors of publication |
Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H. |
Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
Year of publication |
2005 |
Journal issue |
1 |
Pages of publication |
37 - 43 |
a |
15.583 ± 0.002 Å |
b |
12.61 ± 0.001 Å |
c |
18.461 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3627.6 ± 0.7 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
6 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.081 |
Residual factor for significantly intense reflections |
0.035 |
Weighted residual factors for all reflections |
0.049 |
Weighted residual factors for all reflections included in the refinement |
0.043 |
Goodness-of-fit parameter for all reflections |
0.954 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7000052.html